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Molecule : HR3

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C15H14N2O5/c1-22-10-4-2-9(3-5-10)7-16-13-8-17-12(15(20)21)6-11(13)14(18)19/h2-6,8,16H,7H2,1H3,(H,18,19)(H,20,21)
2	InChIKey	InChI	1.03	FRXQENHLNWKEGR-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	COc1ccc(CNc2cnc(cc2C(O)=O)C(O)=O)cc1
4	SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O
5	Canonical SMILES	CACTVS	3.385	COc1ccc(CNc2cnc(cc2C(O)=O)C(O)=O)cc1
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O